N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxy-phenyl]-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxy-phenyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[3-[5-(hydroxymethyl)-2-furyl]-4-methoxy-phenyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[3-[5-(hydroxymethyl)-2-furanyl]-4-methoxyphenyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[4-methoxy-3-(5-methylol-2-furyl)phenyl]-5-nitro-2-piperidino-benzamide Formula: C24H25N3O6 MolecularWeight: 451.4718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)C4=CC=C(O4)CO

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)C4=CC=C(O4)CO

InChI

InChI=1S/C24H25N3O6/c1-32-22-9-5-16(13-20(22)23-10-7-18(15-28)33-23)25-24(29)19-14-17(27(30)31)6-8-21(19)26-11-3-2-4-12-26/h5-10,13-14,28H,2-4,11-12,15H2,1H3,(H,25,29)